2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C23H16F2N6O — CID 11235757

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)ccc1F
InChIInChI=1S/C23H16F2N6O/c24-16-5-1-13(2-6-16)11-26-23(32)17-9-14(3-7-19(17)25)21-18-10-15(22-27-12-28-31-22)4-8-20(18)29-30-21/h1-10,12H,11H2,(H,26,32)(H,29,30)(H,27,28,31)
InChIKeyLKEZCFFDKWPYFS-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.22
Rot. Bonds5

About 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 11235757) has the molecular formula C23H16F2N6O and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID11235757
Molecular FormulaC23H16F2N6O
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)ccc1F
InChIInChI=1S/C23H16F2N6O/c24-16-5-1-13(2-6-16)11-26-23(32)17-9-14(3-7-19(17)25)21-18-10-15(22-27-12-28-31-22)4-8-20(18)29-30-21/h1-10,12H,11H2,(H,26,32)(H,29,30)(H,27,28,31)
InChIKeyLKEZCFFDKWPYFS-UHFFFAOYSA-N
XLogP4.22
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 11235757) is 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NCc1ccc(F)cc1)c1cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)ccc1F.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is LKEZCFFDKWPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O/c24-16-5-1-13(2-6-16)11-26-23(32)17-9-14(3-7-19(17)25)21-18-10-15(22-27-12-28-31-22)4-8-20(18)29-30-21/h1-10,12H,11H2,(H,26,32)(H,29,30)(H,27,28,31).
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 430.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 11235757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).